2-bromo-N-cyclopentyl-6-fluoro-N-(2-methylpropyl)benzamide

C16H21BrFNO — CID 114559684

IUPAC2-bromo-N-cyclopentyl-6-fluoro-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(C(=O)c1c(F)cccc1Br)C1CCCC1
InChIInChI=1S/C16H21BrFNO/c1-11(2)10-19(12-6-3-4-7-12)16(20)15-13(17)8-5-9-14(15)18/h5,8-9,11-12H,3-4,6-7,10H2,1-2H3
InChIKeyOMEGHJKWZYVRHE-UHFFFAOYSA-N
MW342.25 g/mol
LogP4.63
Rot. Bonds4

About 2-bromo-N-cyclopentyl-6-fluoro-N-(2-methylpropyl)benzamide

2-bromo-N-cyclopentyl-6-fluoro-N-(2-methylpropyl)benzamide (PubChem CID 114559684) has the molecular formula C16H21BrFNO and a molecular weight of 342.25 g/mol. Its IUPAC name is 2-bromo-N-cyclopentyl-6-fluoro-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-cyclopentyl-6-fluoro-N-(2-methylpropyl)benzamide
PubChem CID114559684
Molecular FormulaC16H21BrFNO
Molecular Weight342.25 g/mol
Exact Mass341.08
IUPAC Name2-bromo-N-cyclopentyl-6-fluoro-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(C(=O)c1c(F)cccc1Br)C1CCCC1
InChIInChI=1S/C16H21BrFNO/c1-11(2)10-19(12-6-3-4-7-12)16(20)15-13(17)8-5-9-14(15)18/h5,8-9,11-12H,3-4,6-7,10H2,1-2H3
InChIKeyOMEGHJKWZYVRHE-UHFFFAOYSA-N
XLogP4.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.25
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-cyclopentyl-2-fluoro-N-(2-methylpropyl)benzamide
CID 112725824
3-bromo-N-cyclopentyl-2-fluoro-N-(3-methylbutyl)benzamide
CID 107952814
3-bromo-N-cyclopentyl-N-(2-methylpropyl)thiophene-2-carboxamide
CID 113223704
2-bromo-N-(2-chloropropyl)-6-fluoro-N-methylbenzamide
CID 114561002
5-bromo-N-cyclopentyl-N-(2-methylpropyl)furan-2-carboxamide
CID 112725800
5-bromo-N-cyclopentyl-N-(2-methylpropyl)thiophene-2-carboxamide
CID 113221746
2-bromo-N-cyclopentyl-N-(2-methylpropyl)-5-sulfanylbenzamide
CID 107032458
2-bromo-N-cyclopropyl-6-fluoro-N-(thiophen-3-ylmethyl)benzamide
CID 114559566
ethyl 2-[(2-bromo-6-fluorobenzoyl)-(2-methylpropyl)amino]acetate
CID 114559509
(2-bromo-6-fluorophenyl)-cyclopentylmethanone
CID 114885328
2-bromo-N-cyclopropyl-6-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 114559517
1-(2-bromo-6-fluorophenyl)-2-cyclopentylethanone
CID 114885274

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-cyclopentyl-6-fluoro-N-(2-methylpropyl)benzamide?
The IUPAC name of 2-bromo-N-cyclopentyl-6-fluoro-N-(2-methylpropyl)benzamide (CID 114559684) is 2-bromo-N-cyclopentyl-6-fluoro-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2-bromo-N-cyclopentyl-6-fluoro-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2-bromo-N-cyclopentyl-6-fluoro-N-(2-methylpropyl)benzamide is CC(C)CN(C(=O)c1c(F)cccc1Br)C1CCCC1.
What is the InChIKey of 2-bromo-N-cyclopentyl-6-fluoro-N-(2-methylpropyl)benzamide?
The InChIKey is OMEGHJKWZYVRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrFNO/c1-11(2)10-19(12-6-3-4-7-12)16(20)15-13(17)8-5-9-14(15)18/h5,8-9,11-12H,3-4,6-7,10H2,1-2H3.
What are the key properties of 2-bromo-N-cyclopentyl-6-fluoro-N-(2-methylpropyl)benzamide?
2-bromo-N-cyclopentyl-6-fluoro-N-(2-methylpropyl)benzamide has a molecular weight of 342.25 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclopentyl-6-fluoro-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 114559684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).